(4-propanoylphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (4-propanoylphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (4-propanoylphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (4-propionylphenyl) ester Formula: C24H21BrO4 MolecularWeight: 453.32514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H21BrO4/c1-2-22(26)18-8-11-20(12-9-18)29-24(27)21-16-19(25)10-13-23(21)28-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3